3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

C12H19N3S — CID 80725115

IUPAC3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2(C)CCCS2)n1
InChIInChI=1S/C12H19N3S/c1-9-7-13-10(2)11(15-9)14-8-12(3)5-4-6-16-12/h7H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyOFADPFHJJUCSIB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.79
Rot. Bonds3

About 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine

3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (PubChem CID 80725115) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
PubChem CID80725115
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2(C)CCCS2)n1
InChIInChI=1S/C12H19N3S/c1-9-7-13-10(2)11(15-9)14-8-12(3)5-4-6-16-12/h7H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyOFADPFHJJUCSIB-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-4-amine
CID 80926794
5-fluoro-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 115750262
2-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2,6-diamine
CID 80527980
2-chloro-6-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322179
5-bromo-2-N-[(2-methylthiolan-2-yl)methyl]pyridine-2,3-diamine
CID 80736906
5-bromo-3-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 103582588
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 115457058
2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853489
5-bromo-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 115774245
5-bromo-6-N-ethyl-4-N-[(2-methylthiolan-2-yl)methyl]pyrimidine-4,6-diamine
CID 114072574
7-methyl-N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686600
N-[(2-methylthiolan-2-yl)methyl]phthalazin-1-amine
CID 80724137

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine (CID 80725115) is 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is Cc1cnc(C)c(NCC2(C)CCCS2)n1.
What is the InChIKey of 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
The InChIKey is OFADPFHJJUCSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-7-13-10(2)11(15-9)14-8-12(3)5-4-6-16-12/h7H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine?
3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine has a molecular weight of 237.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(2-methylthiolan-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 80725115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).